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CS-W001157 4
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tert-Butyl (3-ethynylpyridin-4-yl)carbamate

  • CAS No. 211029-69-5

  • Cat. No. CS-0609460
  • Molecule weight218.25
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

tert-Butyl (3-ethynylpyridin-4-yl)carbamate|CS-0609460

Structure of 211029-69-5

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General Information

  • CAS No. 211029-69-5
  • Cat. No. CS-0609460
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂O₂
  • Molecular Weight 218.25
  • Synonym(s) Carbamic acid, N-(3-ethynyl-4-pyridinyl)-, 1,1-dimethylethyl ester
  • SMILES O=C(OC(C)(C)C)NC1=C(C#C)C=NC=C1

Synthesis

  • Route1
    • null|null
      1244029-72-8
    • ~91%
    • tert-Butyl (3-ethynylpyridin-4-yl)carbamate|CS-0609460
      211029-69-5

    References

    • Power, David P.; Lozach, Olivier; Meijer, Laurent; Grayson, David H.; Connon, Stephen J. Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 16 p. 4940 - 4944
  • Route2

    References

    • Xu, Lianhong; Lewis, Iestyn R.; Davidsen, Steven K.; Summers, James B. Tetrahedron Letters, 1998 , vol. 39, # 29 p. 5159 - 5162
  • Route3

    References

    • Xu, Lianhong; Lewis, Iestyn R.; Davidsen, Steven K.; Summers, James B. Tetrahedron Letters, 1998 , vol. 39, # 29 p. 5159 - 5162

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   51.22
  • LogP   2.4099
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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